[CPMD-list] Problem with Nose thermostat

Alexandr Isayev alex at ccmsi.us
Tue Jul 4 15:17:09 CEST 2006


Just a quick question in connection to this thread.
If there is a some kind rule of thumb about the system size limit
(or number of the degrees of freedom) for massive thermostat?

Sincerely,
Alexandr



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Alexandr Isayev,
Graduate Research Assistant, and System Administrator
@ Computational Center for Molecular Structure
and Interactions (CCMSI),
Jackson State University,
Jackson, MS USA
   Tel:  +(601) 979-1134
e-mail:  alex(at)ccmsi.us
   Web:  http://www.ccmsi.us
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